3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide

C28H32F3N5O2 — CID 171681907

IUPAC3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(C2CCN(C(=O)c3ccc4n[nH]c(C(F)(F)F)c4c3)CC2)cc1
InChIInChI=1S/C28H32F3N5O2/c29-28(30,31)26-23-18-21(6-9-24(23)33-34-26)27(38)36-16-10-20(11-17-36)19-4-7-22(8-5-19)32-25(37)12-15-35-13-2-1-3-14-35/h4-9,18,20H,1-3,10-17H2,(H,32,37)(H,33,34)
InChIKeyQGGCQQRCEZXTDN-UHFFFAOYSA-N
MW527.59 g/mol
LogP5.42
Rot. Bonds6

About 3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide

3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide (PubChem CID 171681907) has the molecular formula C28H32F3N5O2 and a molecular weight of 527.59 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide
PubChem CID171681907
Molecular FormulaC28H32F3N5O2
Molecular Weight527.59 g/mol
Exact Mass527.25
IUPAC Name3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(C2CCN(C(=O)c3ccc4n[nH]c(C(F)(F)F)c4c3)CC2)cc1
InChIInChI=1S/C28H32F3N5O2/c29-28(30,31)26-23-18-21(6-9-24(23)33-34-26)27(38)36-16-10-20(11-17-36)19-4-7-22(8-5-19)32-25(37)12-15-35-13-2-1-3-14-35/h4-9,18,20H,1-3,10-17H2,(H,32,37)(H,33,34)
InChIKeyQGGCQQRCEZXTDN-UHFFFAOYSA-N
XLogP5.42
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.59
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(quinazoline-6-carbonyl)piperidin-4-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 171685190
N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171683860
N-(4-bromophenyl)-3-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]propanamide
CID 78896272
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide
CID 109013943
3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 78843642
3-(4-bromophenoxy)-N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]propanamide
CID 171685145
N-[9-(cycloheptylamino)-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
CID 10120705
N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide
CID 53323436
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylpropanamide
CID 110688243
N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
CID 59868948
3-(2,6-dimethyl-3-pyridinyl)-N-[4-[1-[1-methyl-5-(trifluoromethyl)pyrrole-2-carbonyl]piperidin-4-yl]phenyl]propanamide
CID 171684899

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide?
The IUPAC name of 3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide (CID 171681907) is 3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide.
What is the SMILES notation for 3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide?
The canonical SMILES for 3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide is O=C(CCN1CCCCC1)Nc1ccc(C2CCN(C(=O)c3ccc4n[nH]c(C(F)(F)F)c4c3)CC2)cc1.
What is the InChIKey of 3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide?
The InChIKey is QGGCQQRCEZXTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O2/c29-28(30,31)26-23-18-21(6-9-24(23)33-34-26)27(38)36-16-10-20(11-17-36)19-4-7-22(8-5-19)32-25(37)12-15-35-13-2-1-3-14-35/h4-9,18,20H,1-3,10-17H2,(H,32,37)(H,33,34).
What are the key properties of 3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide?
3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide has a molecular weight of 527.59 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-[4-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 171681907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).